5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole

C11H11NO — CID 57123992

IUPAC5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole
SMILESC=CC1C=C(c2ccccc2)NO1
InChIInChI=1S/C11H11NO/c1-2-10-8-11(12-13-10)9-6-4-3-5-7-9/h2-8,10,12H,1H2
InChIKeyBJBCRAZEXGEMHG-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.12
Rot. Bonds2

About 5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole

5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole (PubChem CID 57123992) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole
PubChem CID57123992
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole
SMILESC=CC1C=C(c2ccccc2)NO1
InChIInChI=1S/C11H11NO/c1-2-10-8-11(12-13-10)9-6-4-3-5-7-9/h2-8,10,12H,1H2
InChIKeyBJBCRAZEXGEMHG-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Benzenemethanamine, N-(2-propen-1-yloxy)-
CID 10997373
Phenyloxazine
CID 53643691
1-phenyl-N-propan-2-yloxymethanamine
CID 53771755
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
CID 57113488
5-(Chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 57128721
3-(4-Fluorophenyl)-5-(isothiocyanatomethyl)-2,5-dihydro-1,2-oxazole
CID 57175537
1-(2,5-difluorophenyl)-N-methoxyethenamine
CID 57227492
1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57266923

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole (CID 57123992) is 5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole is C=CC1C=C(c2ccccc2)NO1.
What is the InChIKey of 5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole?
The InChIKey is BJBCRAZEXGEMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-10-8-11(12-13-10)9-6-4-3-5-7-9/h2-8,10,12H,1H2.
What are the key properties of 5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole?
5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole has a molecular weight of 173.21 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-phenyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57123992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).